European Journal of Chemistry

Synthesis, antimicrobial, and antitubercular evaluation of new Schiff bases with in silico ADMET and molecular docking studies

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Published: Mar 31, 2022
DOI: https://doi.org/10.5155/eurjchem.13.1.109-116.2216
Keywords:
5V3Y, MABA, In silico, Antifungal activity, Multistep synthesis, Antibacterial activity
Section
Research Article
Issue
Vol. 13 No. 1 (2022): March 2022
Dates
Received 2021-11-18
Accepted 2022-01-03
Published 2022-03-31
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Sakshith Raghavendra Prasad
Department of Pharmaceutical Chemistry, National College of Pharmacy, Balaraj Urs Road, Shivamogga-577201, Karnataka, India
https://orcid.org/0000-0003-4700-1679
Nayak Devappa Satyanarayan
Department of Pharmaceutical Chemistry, Kuvempu University, Post-Graduate Centre, Kadur-577548, Karnataka, India
https://orcid.org/0000-0003-4511-3749
Avarse Satish Kumar Shetty
Department of Pharmaceutical Chemistry, National College of Pharmacy, Balaraj Urs Road, Shivamogga-577201, Karnataka, India
https://orcid.org/0000-0003-2903-7678
Basaiah Thippeswamy
Department of Post-Graduation Studies and Research in Microbiology, Jnanasahyadri, Kuvempu University, Shankaraghatta-577451, India
https://orcid.org/0000-0002-6436-0289

Abstract

Schiff bases are a proven moiety in antitubercular drug discovery and the antitubercular drug development. Drug discovery is a never-ending process due to evolving drug resistance by the bacteria, as a result, there is a need of developing new antitubercular drugs. In this continuous process of antitubercular drug discovery, new series of Schiff bases are synthesized using quinoline carbohydrazide upon coupling with different aldehydes in ethanolic media through multistep synthesis. These synthesized compounds were purified and characterized by different spectroscopic techniques. The molecules were in vitro screened for antifungal and antibacterial potential by Agar well diffusion assay, antitubercular activity by using microplate Alamar blue assay, and an attempt has been made to study the in-silico relationship between new Schiff base derivatives 4a-f and the crystal structure of M. tuberculosis (5V3Y) protein by molecular docking studies. Synthesized compounds 4a-f show good interaction with the crystal structure of M. tuberculosis protein (5V3Y) and fulfill ADMET characteristics in silico experiments. Among the compounds tested, compound 4d was found to be active against bacteria and fungi. Compound 4b was found to be sensitive against M. tuberculosis at 50 µg/mL concentration.


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Prasad, S. R.; Satyanarayan, N. D.; Shetty, A. S. K.; Thippeswamy, B. Synthesis, Antimicrobial, and Antitubercular Evaluation of New Schiff Bases With in Silico ADMET and Molecular Docking Studies. Eur. J. Chem. 2022, 13, 109-116.

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Kuvempu University, Shankaraghatta-577451, India.
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